SCHEMBL4986986

SCHEMBL4986986

Nc1ncnc2c1CCN(S(=O)(=O)c1ccc3c(c1)OCCO3)C2

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 18/20 0.54
PKLR P30613 7/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4992492 0.86 LMNA (0.50) PKMPKLRNPC1RAB9AHTT
SCHEMBL4986180 0.81 MCOLN3 (0.50) PKMPKLRHTTLMNAMEN1
SCHEMBL4988452 0.80 MEN1 (0.51) PKMMEN1KMT2AALDH1A1
SCHEMBL4988330 0.79 CD4 (0.50) PKMRAB9AHTTALDH1A1
SCHEMBL4993378 0.79 KMT2A (0.49) PKMHTTLMNAMEN1KMT2A
SCHEMBL4983025 0.79 MEN1 (0.53) PKMHTTLMNAMEN1KMT2A
SCHEMBL4988645 0.79 MAPT (0.42) PKMRAB9AHTTLMNAMEN1
SCHEMBL4992079 0.78 CYP3A4 (0.58) PKMHTTLMNAALDH1A1
SCHEMBL4992568 0.78 MEN1 (0.46) PKMMEN1KMT2AALDH1A1
SCHEMBL4982608 0.78 SMN1; SMN2 (0.55) PKMHTTMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed
US-7297700-B2 Bicycloheteroaryl compounds as P2X7 modulators and uses thereof RENOVIS, INC. (US) 2007-11-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 PKM 1098/4885PKLR 1213/4885NPC1 2233/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.